2-(4-fluorophenyl)-4-oxopent-2-enoic acid

C11H9FO3 — CID 142782295

IUPAC2-(4-fluorophenyl)-4-oxopent-2-enoic acid
SMILESCC(=O)C=C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H9FO3/c1-7(13)6-10(11(14)15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,14,15)
InChIKeyCUFPXMTWRONJJU-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.88
Rot. Bonds3

About 2-(4-fluorophenyl)-4-oxopent-2-enoic acid

2-(4-fluorophenyl)-4-oxopent-2-enoic acid (PubChem CID 142782295) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-oxopent-2-enoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-oxopent-2-enoic acid
PubChem CID142782295
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name2-(4-fluorophenyl)-4-oxopent-2-enoic acid
SMILESCC(=O)C=C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H9FO3/c1-7(13)6-10(11(14)15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,14,15)
InChIKeyCUFPXMTWRONJJU-UHFFFAOYSA-N
XLogP1.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid
CID 70352167
(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid
CID 91998911
2-fluoro-3-(4-fluorophenyl)but-2-enoic acid
CID 79729079
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
(Z)-3-(3-fluorophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83952444
(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one
CID 145260514
(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 5376034
1-(4-fluorophenyl)-4-hydroxy-3,4-dioxobut-1-en-1-olate
CID 54720835
(E)-4-(4-fluorophenyl)hex-4-en-3-one
CID 154714595
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992
3-(dimethylamino)-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
CID 123608468

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-oxopent-2-enoic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-oxopent-2-enoic acid (CID 142782295) is 2-(4-fluorophenyl)-4-oxopent-2-enoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-oxopent-2-enoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-oxopent-2-enoic acid is CC(=O)C=C(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-oxopent-2-enoic acid?
The InChIKey is CUFPXMTWRONJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-7(13)6-10(11(14)15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)-4-oxopent-2-enoic acid?
2-(4-fluorophenyl)-4-oxopent-2-enoic acid has a molecular weight of 208.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-oxopent-2-enoic acid is sourced from PubChem (CID 142782295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).